CS(=O)(=O)N1CCC(C1)NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl
Nom: 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(3S)-1-methylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine
SMILES: CS(=O)(=O)N1CCC(C1)NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl

Molecular Processing

Molecular formula
C16H16ClFN6O2S
Molecular weight
410.86
Exact mass
410.0728
XLogP
2.26
TPSA
103.87
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
100.53

Supplementary Information

InChIKey: QSJYUXRJTISLDN-JTQLQIEISA-N
Synonymes
SCHEMBL10008840QSJYUXRJTISLDN-JTQLQIEISA-N(S)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(1-(methylsulfonyl)pyrrolidin-3-yl)pyrimidin-4-amine
Voir la source →
Impliqué dans 24 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→